5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C15H23FN2O2S — CID 102920876

IUPAC5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H23FN2O2S/c1-14(2)13(15(14,3)4)18-21(19,20)12-8-11(16)7-6-10(12)9-17-5/h6-8,13,17-18H,9H2,1-5H3
InChIKeyLMLPOGLAPPUOMK-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.26
Rot. Bonds5

About 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 102920876) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID102920876
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C15H23FN2O2S/c1-14(2)13(15(14,3)4)18-21(19,20)12-8-11(16)7-6-10(12)9-17-5/h6-8,13,17-18H,9H2,1-5H3
InChIKeyLMLPOGLAPPUOMK-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79359868
5-fluoro-N-(2-methoxycyclopentyl)-2-(methylaminomethyl)benzenesulfonamide
CID 102920705
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102920994
5-fluoro-2-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072803
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622
5-fluoro-2-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073746
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
5-fluoro-2-(methylaminomethyl)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088324
5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081960
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920827
N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920829

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 102920876) is 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is LMLPOGLAPPUOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-14(2)13(15(14,3)4)18-21(19,20)12-8-11(16)7-6-10(12)9-17-5/h6-8,13,17-18H,9H2,1-5H3.
What are the key properties of 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 102920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).